Spektraris NMR
RumphiosideAC-D
Common Name: RumphiosideAC-D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H50O17/c1-17(38)47-16-25-29(48-18(2)39)30(49-19(3)40)31(50-20(4)41)35(52-25)53-27-14-23-33(43)51-24(21-13-28(44-7)54-34(21)46-9)15-36(23,5)26-12-10-11-22(32(42)45-8)37(26,27)6/h11,13,23-31,34-35H,10,12,14-16H2,1-9H3/t23-,24-,25+,26+,27+,28?,29+,30-,31+,34?,35-,36+,37+/m0/s1
InChIKey: InChIKey=UTMNIFVBKIKZMV-MDNKSMNKSA-N
Formula: C37H50O17
Molecular Weight: 766.78415
Exact Mass: 766.3048
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Martin, T.S., Ohtani, K., Kasai, R., Yamasaki, K. Phytochemistry (1995) 40, 1729-36
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 16.5 |
| 2 (CH2) | 23.7 |
| 3 (CH) | 141.6 |
| 4 (C) | 135.3 |
| 5 (C) | 39.5 |
| 6 (CH) | 77.9 |
| 7 (CH2) | 21.9 |
| 8 (CH) | 45.5 |
| 9 (C) | 35.3 |
| 10 (CH) | 36.4 |
| 11 (CH2) | 40.3 |
| 12 (CH) | 70.1 |
| 13 (C) | 144.1 |
| 14 (CH) | 126.7 |
| 15 (CH) | 108.3 |
| 16 (CH) | 106.6 |
| 17 (C) | 171.8 |
| 18 (C) | 167.1 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 27 |
| 1' (CH) | 101.6 |
| 2' (CH) | 71.5 |
| 3' (CH) | 72.9 |
| 4' (CH) | 68.7 |
| 5' (CH) | 71.9 |
| 6' (CH2) | 61.4 |
| 15a (CH3) | 52.8 |
| 16a (CH3) | 54.1 |
| 18a (CH3) | 51.6 |
| 2'b (C) | 168.6 |
| 2'c (CH3) | 20.8 |
| 3'b (C) | 169.3 |
| 3'c (CH3) | 20.7 |
| 4'b (C) | 170.4 |
| 4'c (CH3) | 20.6 |
| 6'b (C) | 170.9 |
| 6'c (CH3) | 20.6 |
